ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011891
RECORD_TITLE: N-ACETYL-L-CYSTEINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-L-CYSTEINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉NO₃S
CH$EXACT_MASS: 163.03031
CH$SMILES: CC(=O)NC(CS)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
CH$LINK: CAS 616-91-1
CH$LINK: NIKKAJI J3.309J
CH$LINK: INCHIKEY PWKSKIMOESPYIA-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID5020021

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ox-9000000000-192b8907b32f1e180c72
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  14 1.6 16
  15 10.56 106
  17 1.14 11
  18 4.01 40
  26 1.39 14
  27 4.61 46
  28 18.27 183
  29 2.36 24
  30 5.02 50
  32 1.01 10
  33 1.32 13
  34 1.18 12
  40 2.23 22
  41 5.8 58
  42 13.8 138
  43 99.99 999
  44 12.27 123
  45 12.3 123
  46 5.74 57
  47 9.76 98
  48 2.8 28
  55 1.65 17
  56 1.05 11
  57 6.71 67
  58 5.59 56
  59 13.79 138
  60 79.69 797
  61 2.41 24
  70 3.13 31
  71 2.24 22
  74 32.63 326
  75 7.78 78
  76 31 310
  77 1.48 15
  78 1.37 14
  84 2.06 21
  85 5.52 55
  86 8.17 82
  87 3.95 40
  88 4.16 42
  99 10.48 105
  100 4.47 45
  117 2.75 28
  118 4.41 44
  120 2.07 21
  121 1.92 19
  130 1.3 13
  151 1.44 14
  163 4.05 41
//